N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide

C21H18ClNO5S — CID 19211456

IUPACN-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(N(C(=O)c2cccc(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H18ClNO5S/c1-27-18-10-8-17(9-11-18)23(21(24)15-4-3-5-19(14-15)28-2)29(25,26)20-12-6-16(22)7-13-20/h3-14H,1-2H3
InChIKeyQDEBIHGWFFCOQV-UHFFFAOYSA-N
MW431.90 g/mol
LogP4.39
Rot. Bonds6

About N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide

N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide (PubChem CID 19211456) has the molecular formula C21H18ClNO5S and a molecular weight of 431.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide
PubChem CID19211456
Molecular FormulaC21H18ClNO5S
Molecular Weight431.90 g/mol
Exact Mass431.06
IUPAC NameN-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(N(C(=O)c2cccc(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H18ClNO5S/c1-27-18-10-8-17(9-11-18)23(21(24)15-4-3-5-19(14-15)28-2)29(25,26)20-12-6-16(22)7-13-20/h3-14H,1-2H3
InChIKeyQDEBIHGWFFCOQV-UHFFFAOYSA-N
XLogP4.39
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide (CID 19211456) is N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide is COc1ccc(N(C(=O)c2cccc(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide?
The InChIKey is QDEBIHGWFFCOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO5S/c1-27-18-10-8-17(9-11-18)23(21(24)15-4-3-5-19(14-15)28-2)29(25,26)20-12-6-16(22)7-13-20/h3-14H,1-2H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide?
N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide has a molecular weight of 431.90 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 19211456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).